Si diamond ThreeBodyCluster_KP_KaxirasPandey_1988_Si__MO_072486242437_000 5.40402340889 Optimization terminated successfully. Current function value: -37.595213 Iterations: 70 Function evaluations: 185 C11 = 222.186856 +/- 0.007336 GPa C12 = 82.086963 +/- 0.005187 GPa C44 = 64.521808 +/- 0.001834 GPa B = 128.786928 +/- 0.004235 GPa